CID 135599781

Brn 4221290

Structural Information

Molecular Formula
C25H24ClN7O4
SMILES
C1CN(CCN1CC(=O)N/N=C(/C2=CC=CC=C2O)\N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4
InChI
InChI=1S/C25H24ClN7O4/c26-21-16-19(33(36)37)10-11-22(21)27-29-25(20-8-4-5-9-23(20)34)30-28-24(35)17-31-12-14-32(15-13-31)18-6-2-1-3-7-18/h1-11,16,34H,12-15,17H2,(H,28,35)/b29-27?,30-25-
InChIKey
OPXOKRUIDUUPCA-FTGRWOICSA-N
Compound name
N-[(Z)-[[(2-chloro-4-nitrophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.15784 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.16512 218.8
[M+Na]+ 544.14706 218.4
[M-H]- 520.15056 229.3
[M+NH4]+ 539.19166 220.1
[M+K]+ 560.12100 209.6
[M+H-H2O]+ 504.15510 209.2
[M+HCOO]- 566.15604 236.6
[M+CH3COO]- 580.17169 248.0
[M+Na-2H]- 542.13251 223.8
[M]+ 521.15729 215.7
[M]- 521.15839 215.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.